Task 38684408

Name test_979-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7790_0
Workunit 31625923
Created 27 Oct 2026, 16:11:32 UTC
Sent 27 Oct 2026, 16:11:39 UTC
Report deadline 1 Nov 2026, 16:11:39 UTC
Received 27 Oct 2026, 17:12:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 1 hours 0 min 3 sec
CPU time 55 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.95 MB
Peak swap size 11.28 GB
Peak disk usage 3.69 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:14:10 (8324): wrapper (7.9.26016): starting
17:14:10 (8324): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
17:14:12 (8324): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:14:12 (8324): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\30\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\30\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:11:55 (8324): C:/Windows/system32/cmd.exe exited; CPU time 3310.656250
18:11:55 (8324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 47194693 bytes.
Dumping objects ->
{3835220} normal block at 0x000002599B635690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002599B6360A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000002599B635D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000002599B635620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000002599B635D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000002599D2FB7C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x000002599B607150, 8 bytes long.
 Data: <    Y   > 00 00 10 9D 59 02 00 00 
{3833949} normal block at 0x000002599B607AB0, 8 bytes long.
 Data: <`&#137;5 Y   > 60 89 35 9D 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002599B610B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002599B5FBB20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002599B611BC0, 16 bytes long.
 Data: <&#184;1a&#155;Y           > B8 31 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002599B6127A0, 16 bytes long.
 Data: < 1a&#155;Y           > 90 31 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002599B60DEF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002599B611C10, 16 bytes long.
 Data: <h1a&#155;Y           > 68 31 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002599B611B20, 16 bytes long.
 Data: <@1a&#155;Y           > 40 31 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002599B611AD0, 16 bytes long.
 Data: < 1a&#155;Y           > 18 31 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002599B612660, 16 bytes long.
 Data: <&#240;0a&#155;Y           > F0 30 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002599B60BFD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002599B612A20, 16 bytes long.
 Data: < \_&#155;Y           > 08 5C 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002599B60D650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002599B612700, 16 bytes long.
 Data: <&#224;[_&#155;Y           > E0 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002599B612610, 16 bytes long.
 Data: <&#184;[_&#155;Y           > B8 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002599B6125C0, 16 bytes long.
 Data: < [_&#155;Y           > 90 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002599B612750, 16 bytes long.
 Data: <h[_&#155;Y           > 68 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002599B611DF0, 16 bytes long.
 Data: <@[_&#155;Y           > 40 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002599B6123E0, 16 bytes long.
 Data: < [_&#155;Y           > 18 5B 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002599B60D3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002599B611B70, 16 bytes long.
 Data: <&#240;Z_&#155;Y           > F0 5A 5F 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002599B5F5AF0, 320 bytes long.
 Data: <p a&#155;Y   &#176;&#211;`&#155;Y   > 70 1B 61 9B 59 02 00 00 B0 D3 60 9B 59 02 00 00 
{270} normal block at 0x000002599B612980, 16 bytes long.
 Data: <&#208;0a&#155;Y           > D0 30 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002599B612390, 16 bytes long.
 Data: <&#168;0a&#155;Y           > A8 30 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002599B60DC50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002599B6127F0, 16 bytes long.
 Data: < 0a&#155;Y           > 80 30 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002599B60D5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002599B612340, 16 bytes long.
 Data: <&#200;/a&#155;Y           > C8 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002599B612570, 16 bytes long.
 Data: <&#160;/a&#155;Y           > A0 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002599B6122F0, 16 bytes long.
 Data: <x/a&#155;Y           > 78 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002599B6122A0, 16 bytes long.
 Data: <P/a&#155;Y           > 50 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002599B6124D0, 16 bytes long.
 Data: <(/a&#155;Y           > 28 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002599B612250, 16 bytes long.
 Data: < /a&#155;Y           > 00 2F 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002599B612200, 16 bytes long.
 Data: <`&#191;`&#155;Y           > 60 BF 60 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002599B60BF60, 40 bytes long.
 Data: < "a&#155;Y   &#192;&#183;/ Y   > 00 22 61 9B 59 02 00 00 C0 B7 2F 9D 59 02 00 00 
{256} normal block at 0x000002599B6129D0, 16 bytes long.
 Data: <&#224;.a&#155;Y           > E0 2E 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002599B6128E0, 16 bytes long.
 Data: <&#184;.a&#155;Y           > B8 2E 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002599B60D710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002599B611CB0, 16 bytes long.
 Data: < .a&#155;Y           > 90 2E 61 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002599B612E90, 992 bytes long.
 Data: <&#176; a&#155;Y    &#215;`&#155;Y   > B0 1C 61 9B 59 02 00 00 10 D7 60 9B 59 02 00 00 
{88} normal block at 0x000002599B60D350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002599B607510, 16 bytes long.
 Data: < &#190;`&#155;Y           > 80 BE 60 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002599B60BE80, 40 bytes long.
 Data: < u`&#155;Y   P&#211;`&#155;Y   > 10 75 60 9B 59 02 00 00 50 D3 60 9B 59 02 00 00 
{65} normal block at 0x000002599B607100, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002599B6074C0, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002599B607470, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002599B607B00, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002599B607380, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002599B6076F0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002599B607880, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002599B607CE0, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002599B606F70, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002599B606E80, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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